SCHEMBL29784176

SCHEMBL29784176

COc1ccc(-c2ccc(C(=O)O)cc2C)cc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.53
RARB P10826 1/20 0.53
RARG P13631 1/20 0.53
MGLL Q99685 1/20 0.52
PPARD Q03181 4/20 0.52
S1PR1 P21453 1/20 0.52
S1PR5 Q9H228 1/20 0.52
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
TPMT P51580 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22442325 1.00 RARA (0.53) RARARARBRARGMGLLPPARD
SCHEMBL12761562 0.88 RARB (0.68) RARARARBRARGPPARDLMNA
SCHEMBL20794125 0.84 CETP (0.60) PPARDCETPKCNH2
SCHEMBL18386929 0.84 PPARD (0.59) PPARDCETPKCNH2
SCHEMBL5151167 0.84 CA12 (0.65) RARARARBRARGPPARDLMNA
SCHEMBL615379 0.83 CA12 (0.62) RARARARBRARGLMNAMAPK1
SCHEMBL5156190 0.83 LMNA (0.68) RARBRARGPPARDLMNAMAPK1
SCHEMBL20794128 0.80 CETP (0.57) PPARDCETPKCNH2
SCHEMBL20910310 0.80 MGLL (0.62) MGLLS1PR1S1PR5LMNAKCNH2
SCHEMBL1529031 0.80 CA12 (0.51) RARARARBRARGPPARDLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG RARA 4250/4885RARB 4092/4885RARG 4385/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.